2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C19H23N5O3S2 — CID 18197617

About 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 18197617) has the molecular formula C19H23N5O3S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

• Compound Name: 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
• PubChem CID: 18197617
• Molecular Formula: C19H23N5O3S2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.12
• IUPAC Name: 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
• SMILES: CCCN(CC(=O)NC(=O)NCCc1cccs1)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C19H23N5O3S2/c1-2-9-24(13-17-22-23-18(27-17)15-6-4-11-29-15)12-16(25)21-19(26)20-8-7-14-5-3-10-28-14/h3-6,10-11H,2,7-9,12-13H2,1H3,(H2,20,21,25,26)
• InChIKey: FYMMPKBOSGYCFC-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?

The IUPAC name of 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 18197617) is 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

What is the SMILES notation for 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?

The canonical SMILES for 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is CCCN(CC(=O)NC(=O)NCCc1cccs1)Cc1nnc(-c2cccs2)o1.

What is the InChIKey of 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?

The InChIKey is FYMMPKBOSGYCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S2/c1-2-9-24(13-17-22-23-18(27-17)15-6-4-11-29-15)12-16(25)21-19(26)20-8-7-14-5-3-10-28-14/h3-6,10-11H,2,7-9,12-13H2,1H3,(H2,20,21,25,26).

What are the key properties of 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?

2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 433.56 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 18197617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).